SCHEMBL7897129

SCHEMBL7897129

O=C(NCc1ccccn1)c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.60
CNR2 P34972 2/20 0.57
DRD2 P14416 4/20 0.54
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.45
ROCK2 O75116 1/20 0.45
PLA2G1B P04054 1/20 0.44
HTT P42858 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13807796 0.91 CNR1 (0.71) CNR1CNR2DRD2POLBKDM4E
SCHEMBL7899478 0.88 CNR1 (0.64) CNR1CNR2DRD2POLBMAPT
SCHEMBL7897125 0.85 CNR1 (0.64) CNR1CNR2DRD2POLBKDM4E
SCHEMBL7896379 0.85 TP53 (0.64) CNR1CNR2DRD2POLBMAPT
SCHEMBL7904011 0.84 DRD2 (0.64) CNR1CNR2DRD2POLBKMT2A
SCHEMBL7902959 0.84 CNR1 (0.58) CNR1CNR2DRD2POLBKDM4E
SCHEMBL7897128 0.83 TP53 (0.66) CNR1CNR2DRD2POLBKDM4E
SCHEMBL7905749 0.83 CNR1 (0.61) CNR1CNR2DRD2POLBMAPT
SCHEMBL8213689 0.82 CNR1 (0.60) CNR1CNR2DRD2POLBKDM4E
SCHEMBL7897794 0.82 CNR1 (0.61) CNR1CNR2DRD2KDM4EKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010062565-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2010-06-03 WO disclosed